IFLAB-ZINC04359619 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.0150 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 3.0270 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 3.4810 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 5.0090 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 5.4430 3.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 5.6510 4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 6.0320 5.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 6.1900 6.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 6.5940 8.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 6.7010 9.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 6.4140 9.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 6.0170 8.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 5.9040 6.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 5.4260 5.2450 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 6.5230 10.3230 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 5.6400 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 5.9990 4.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 5.4140 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 5.6930 1.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 6.9070 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 7.8950 1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9100 6.8480 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1970 5.3750 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 4.7550 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 3.5930 2.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.3320 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.0740 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.3810 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.4080 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.4130 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 3.0950 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 3.1000 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 5.3950 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 5.3900 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 6.8200 8.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 7.0110 10.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 5.7940 7.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 6.0780 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 4.3780 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2800 7.5110 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3520 7.1050 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7110 5.3050 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7830 4.8990 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 48 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 M END